General Information of the Compound
| Compound ID |
CP0496727
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| Compound Name |
4-(3-fluorophenyl)-6-methoxy-1-(4-methyl-1H-imidazol-1-yl)isoquinoline-3-carbonitrile
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| Structure |
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| Formula |
C21H15FN4O
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| Molecular Weight |
358.376
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| Canonical SMILES |
COc1ccc2c(nc(C#N)c(-c3cccc(F)c3)c2c1)-n1cnc(C)c1
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| InChI |
InChI=1S/C21H15FN4O/c1-13-11-26(12-24-13)21-17-7-6-16(27-2)9-18(17)20(19(10-23)25-21)14-4-3-5-15(22)8-14/h3-9,11-12H,1-2H3
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| InChIKey |
PEMLBTIEGVTHOE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound